Processed databases
Atom-Mass pairs
Outputs for Nicotine; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
Database: Department of Environmental Chemistry, Eawag
Entry ID: EQ300806
Synonyms: Nicotine, 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine, 3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine
Total mass: 162.231
Formula: H14 C10 N2
Experimental information
MS type: MS2
Instrument: Q Exactive Orbitrap Thermo Scientific
Instrument type: LC-ESI-QFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 78.0337, 79.0542, 82.065, 90.0463, 91.0541, 93.0572, 93.0698, 94.065, 96.0443, 104.0494, 105.0447, 105.0697, 116.0493, 117.0572, 119.0726, 120.0806, 130.0651, 131.0728, 134.0964,
Processing time: 0:00:01.824330
Results for the quried mass "77.0384"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5N1 | 0.045 | 3 | 0 | C1,C3,C5,C7,C10,N12 |
| C5N1 | 0.045 | 3 | 0 | C2,C4,C6,C8,C9,N11 |
| C6 | 0.065 | 5 | 0 | C2,C3,C4,C5,C9,C10 |
| C6 | 0.065 | 5 | 0 | C2,C4,C5,C8,C9,C10 |
| C6 | 0.065 | 5 | 0 | C2,C4,C5,C6,C9,C10 |
| C6 | 0.065 | 5 | 0 | C3,C4,C5,C8,C9,C10 |
| C6 | 0.065 | 5 | 0 | C3,C4,C5,C7,C9,C10 |
| C6 | 0.065 | 5 | 0 | C3,C5,C7,C8,C9,C10 |
| C6 | 0.065 | 5 | 0 | C2,C4,C6,C8,C9,C10 |
| C4N2 | 0.026 | 1 | 0 | C4,C8,C9,C10,N11,N12 |
| C4N2 | 0.026 | 1 | 0 | C5,C8,C9,C10,N11,N12 |
| C4N2 | 0.026 | 1 | 0 | C6,C8,C9,C10,N11,N12 |
| C4N2 | 0.026 | 1 | 0 | C7,C8,C9,C10,N11,N12 |